A "short blanket" dilemma for a state-of-the-art neural network potential for water: Reproducing experimental properties or the physics of the underlying many-body interactions?

Zhai, Yaoguang; Caruso, Alessandro; Bore, Sigbjørn Løland; Luo, Zhishang; Paesani, Francesco

Zhai, Yaoguang; Caruso, Alessandro; Bore, Sigbjørn Løland; Luo, Zhishang; Paesani, Francesco.

Afiliação

Zhai Y; Department of Computer Science and Engineering, University of California San Diego, La Jolla, California 92093, USA.
Caruso A; Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, USA.
Bore SL; Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, USA.
Luo Z; Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, USA.
Paesani F; Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, USA.

J Chem Phys ; 158(8): 084111, 2023 Feb 28.

Article em En | MEDLINE | ID: mdl-36859071

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article